N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

C27H30FN7 — CID 176815690

IUPACN-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC12CC(CNCc3ccc4nc(Cn5cnc(-c6cncc(N7CCCC7)c6)c5)cn4c3)(C1)C2
InChIInChI=1S/C27H30FN7/c28-27-15-26(16-27,17-27)18-30-8-20-3-4-25-32-22(13-35(25)11-20)12-33-14-24(31-19-33)21-7-23(10-29-9-21)34-5-1-2-6-34/h3-4,7,9-11,13-14,19,30H,1-2,5-6,8,12,15-18H2
InChIKeyYDZBUVYXOSXYKC-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.22
Rot. Bonds8

About N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine

N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 176815690) has the molecular formula C27H30FN7 and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID176815690
Molecular FormulaC27H30FN7
Molecular Weight471.58 g/mol
Exact Mass471.25
IUPAC NameN-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC12CC(CNCc3ccc4nc(Cn5cnc(-c6cncc(N7CCCC7)c6)c5)cn4c3)(C1)C2
InChIInChI=1S/C27H30FN7/c28-27-15-26(16-27,17-27)18-30-8-20-3-4-25-32-22(13-35(25)11-20)12-33-14-24(31-19-33)21-7-23(10-29-9-21)34-5-1-2-6-34/h3-4,7,9-11,13-14,19,30H,1-2,5-6,8,12,15-18H2
InChIKeyYDZBUVYXOSXYKC-UHFFFAOYSA-N
XLogP4.22
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine (CID 176815690) is N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine is FC12CC(CNCc3ccc4nc(Cn5cnc(-c6cncc(N7CCCC7)c6)c5)cn4c3)(C1)C2.
What is the InChIKey of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is YDZBUVYXOSXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7/c28-27-15-26(16-27,17-27)18-30-8-20-3-4-25-32-22(13-35(25)11-20)12-33-14-24(31-19-33)21-7-23(10-29-9-21)34-5-1-2-6-34/h3-4,7,9-11,13-14,19,30H,1-2,5-6,8,12,15-18H2.
What are the key properties of N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 471.58 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-1-[2-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)imidazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 176815690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).